1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine

C14H12BrCl2N — CID 115811933

IUPAC1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H12BrCl2N/c1-18-14(9-4-2-5-10(16)8-9)11-6-3-7-12(15)13(11)17/h2-8,14,18H,1H3
InChIKeyOMPPVDKPYSXBPL-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.06
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine

1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 115811933) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID115811933
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H12BrCl2N/c1-18-14(9-4-2-5-10(16)8-9)11-6-3-7-12(15)13(11)17/h2-8,14,18H,1H3
InChIKeyOMPPVDKPYSXBPL-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
1-(3-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302295
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070
[(2-bromophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105208765
1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 79591643
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481456
1-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine (CID 115811933) is 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is OMPPVDKPYSXBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-18-14(9-4-2-5-10(16)8-9)11-6-3-7-12(15)13(11)17/h2-8,14,18H,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 345.07 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115811933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).